Chem
J-GLOBAL ID：200907039435433310   Nikkaji number：J1.234.701D

[4-(Trifluoromethyl)benzyl]carbamic acid (3R)-4β-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-5α-methoxy-1-oxaspiro[2.5]octane-6α-yl ester

[4-(トリフルオロメチル)ベンジル]カルバミド酸(3R)-4β-[(2R,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-5α-メトキシ-1-オキサスピロ[2.5]オクタン-6α-イル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H32F3NO5
Molecular formula furigana： C25-H32-F3-N-O5
Molecular weight： 483.528
InChI： InChI=1S/C25H32F3NO5/c1-15(2)5-10-19-23(3,34-19)21-20(31-4)18(11-12-24(21)14-32-24)33-22(30)29-13-16-6-8-17(9-7-16)25(26,27)28/h5-9,18-21H,10-14H2,1-4H3,(H,29,30)/t18-,19-,20-,21-,23+,24+/m1/s1
InChI key： JHUUMADBKIKMIR-XPUPLBFISA-N
SMILES： CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)NCc1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • [4-(トリフルオロメチル)ベンジル]カルバミド酸(3R)-4β-[(2R,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-5α-メトキシ-1-オキサスピロ[2.5]オクタン-6α-イル
  • (3R,4S,5S,6R)-5-メトキシ-4-[(2R,3R)-2-メチル-3-(3-メチルブタ-2-エン-1-イル)オキシラン-2-イル]-1-オキサスピロ[2.5]オクタン-6-イル N-{[4-(トリフルオロメチル)フェニル]メチル}カルバマート
  • (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-{[4-(trifluoromethyl)phenyl]methyl}carbamate
Other name (1)：
  • [4-(Trifluoromethyl)benzyl]carbamic acid (3R)-4β-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-5α-methoxy-1-oxaspiro[2.5]octane-6α-yl ester
Thsaurus map：
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